General Information of the Compound
| Compound ID |
CP0191723
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| Compound Name |
2-(3-(7-hydroxy-4,5-dihydronaphtho[2,1-d]isoxazol-3-yl)propanamido)benzoic acid
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| Structure |
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| Formula |
C21H18N2O5
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| Molecular Weight |
378.384
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| Canonical SMILES |
OC(=O)c1ccccc1NC(=O)CCc1noc-2c1CCc1cc(O)ccc-21
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| InChI |
InChI=1S/C21H18N2O5/c24-13-6-8-14-12(11-13)5-7-15-18(23-28-20(14)15)9-10-19(25)22-17-4-2-1-3-16(17)21(26)27/h1-4,6,8,11,24H,5,7,9-10H2,(H,22,25)(H,26,27)
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| InChIKey |
NOLQWSSNTZARDG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound